SCHEMBL18769088

SCHEMBL18769088

CC(C)(C)CC(C)(C)CNC(=O)C1(C)COC1

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL19026677 0.72 HTT (0.42) SMN1; SMN2
SCHEMBL20863049 0.71 EPHX1 (0.33) —
SCHEMBL15338880 0.69 POLB (0.44) SMN1; SMN2
SCHEMBL30988285 0.69 ALDH1A1 (0.39) SMN1; SMN2
SCHEMBL21477756 0.68 KDM4E (0.37) SMN1; SMN2HSD17B10
SCHEMBL21516844 0.66 ACACB (0.30) —
SCHEMBL19009022 0.65 — —
SCHEMBL21172196 0.65 SMN1; SMN2 (0.34) SMN1; SMN2HSD17B10
SCHEMBL2719822 0.64 EPHX1 (0.50) SMN1; SMN2
SCHEMBL23893056 0.64 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170107251-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF YEDA RESEARCH AND DEVELOPMENT CO. LTD. (IL) 2017-04-20 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170107251-A1 NOVEL RUTHENIUM COMPLEXES AND THEIR USES IN PROCESSES FOR FORMATION AND/OR HYDROGENATION OF ESTERS, AMIDES AND DERIVATIVES THEREOF ADH1C, ADH5, ADH1A SMN1; SMN2 4864/4885HSD17B10 659/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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